SCHEMBL5458712

SCHEMBL5458712

N=c1n(CC(=O)c2ccc(Br)cc2)c2cccc(Cl)c2n1CCOc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 15/20 0.54
▸ BRSK1 Q8TDC3 1/20 0.53
▸ AURKB Q96GD4 1/20 0.53
▸ KMT2A Q03164 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ MAPT P10636 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ TP53 P04637 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14373635 0.93 CXCR3 (0.59) CXCR3KMT2AMAPTRAB9ATP53
SCHEMBL14373637 0.92 CXCR3 (0.65) CXCR3KMT2A
SCHEMBL14373608 0.87 BRSK1 (0.71) CXCR3BRSK1AURKBKMT2AATM
SCHEMBL14373651 0.87 CXCR3 (0.61) CXCR3BRSK1AURKBKMT2AATM
SCHEMBL14373649 0.84 CXCR3 (0.61) CXCR3BRSK1AURKBKMT2AATM
SCHEMBL14373627 0.83 BRSK1 (0.64) CXCR3BRSK1AURKBKMT2AATM
SCHEMBL14373634 0.83 CXCR3 (0.59) CXCR3BRSK1AURKBKMT2AATM
SCHEMBL14373638 0.82 CXCR3 (0.50) CXCR3KMT2AMAPTTP53
SCHEMBL14373630 0.82 BRSK1 (0.62) CXCR3BRSK1AURKBKMT2A
SCHEMBL14373607 0.82 CLK2 (0.71) CXCR3BRSK1AURKBKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 — — US disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 — — US disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 — — US disclosed
WO-2007084728-A2 2-IMINO-BENZIMIDAZOLES ABBOTT LABORATORIES (US) 2007-07-26 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070232673-A1 2-Imino-benzimidazoles CYP2C19, UGT2B7, UGT2B17 CXCR3 4743/4885BRSK1 1014/4885AURKB 216/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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